PDB ligand accession: 3XK
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QBZYUGXSSSASTB-UHFFFAOYSA-N
SMILES: CC(=O)Nc1cccc(c1)c2cc3c4cc(ncc4[nH]c3nc2)C#N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4RVK | Download | Experimental | e4rvkA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |